(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide

C12H16FNO — CID 143947459

IUPAC(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCCNC(=O)[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-14-12(15)9(2)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyAUSNTBIHJBHUNQ-SECBINFHSA-N
MW209.26 g/mol
LogP2.14
Rot. Bonds4

About (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide

(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide (PubChem CID 143947459) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
PubChem CID143947459
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
SMILESCCNC(=O)[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-3-14-12(15)9(2)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyAUSNTBIHJBHUNQ-SECBINFHSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
N-ethyl-2-methyl-3-phenylpropanamide
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3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
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(2R)-N-[(4-fluorophenyl)methyl]-2-methylbutanamide
CID 94606450
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302878
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
2-[(2-amino-3-methylbutanoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 155171197
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide (CID 143947459) is (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide is CCNC(=O)[C@H](C)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide?
The InChIKey is AUSNTBIHJBHUNQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-14-12(15)9(2)8-10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide?
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide has a molecular weight of 209.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 143947459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).